(4S)-7-(methylamino)hept-1-en-4-ol

C8H17NO — CID 87732514

IUPAC(4S)-7-(methylamino)hept-1-en-4-ol
SMILESC=CC[C@@H](O)CCCNC
InChIInChI=1S/C8H17NO/c1-3-5-8(10)6-4-7-9-2/h3,8-10H,1,4-7H2,2H3/t8-/m1/s1
InChIKeyIWIVPRGELROOPV-MRVPVSSYSA-N
MW143.23 g/mol
LogP0.92
Rot. Bonds6

About (4S)-7-(methylamino)hept-1-en-4-ol

(4S)-7-(methylamino)hept-1-en-4-ol (PubChem CID 87732514) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (4S)-7-(methylamino)hept-1-en-4-ol.

Molecular Properties

Compound Name(4S)-7-(methylamino)hept-1-en-4-ol
PubChem CID87732514
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(4S)-7-(methylamino)hept-1-en-4-ol
SMILESC=CC[C@@H](O)CCCNC
InChIInChI=1S/C8H17NO/c1-3-5-8(10)6-4-7-9-2/h3,8-10H,1,4-7H2,2H3/t8-/m1/s1
InChIKeyIWIVPRGELROOPV-MRVPVSSYSA-N
XLogP0.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-7-(methylamino)hept-1-en-4-ol?
The IUPAC name of (4S)-7-(methylamino)hept-1-en-4-ol (CID 87732514) is (4S)-7-(methylamino)hept-1-en-4-ol.
What is the SMILES notation for (4S)-7-(methylamino)hept-1-en-4-ol?
The canonical SMILES for (4S)-7-(methylamino)hept-1-en-4-ol is C=CC[C@@H](O)CCCNC.
What is the InChIKey of (4S)-7-(methylamino)hept-1-en-4-ol?
The InChIKey is IWIVPRGELROOPV-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-5-8(10)6-4-7-9-2/h3,8-10H,1,4-7H2,2H3/t8-/m1/s1.
What are the key properties of (4S)-7-(methylamino)hept-1-en-4-ol?
(4S)-7-(methylamino)hept-1-en-4-ol has a molecular weight of 143.23 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-(methylamino)hept-1-en-4-ol is sourced from PubChem (CID 87732514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).